[5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine

C10H11BrClNO — CID 60878117

IUPAC[5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
SMILESNCc1cc(Br)ccc1OC/C=C/Cl
InChIInChI=1S/C10H11BrClNO/c11-9-2-3-10(8(6-9)7-13)14-5-1-4-12/h1-4,6H,5,7,13H2/b4-1+
InChIKeyNUCKHUJUNLSCNO-DAFODLJHSA-N
MW276.56 g/mol
LogP3.04
Rot. Bonds4

About [5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine

[5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine (PubChem CID 60878117) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is [5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
PubChem CID60878117
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name[5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
SMILESNCc1cc(Br)ccc1OC/C=C/Cl
InChIInChI=1S/C10H11BrClNO/c11-9-2-3-10(8(6-9)7-13)14-5-1-4-12/h1-4,6H,5,7,13H2/b4-1+
InChIKeyNUCKHUJUNLSCNO-DAFODLJHSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]propan-2-amine
CID 60907332
N-[[5-bromo-2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 76983199
4-bromo-1-[(E)-3-chloroprop-2-enoxy]-2-propan-2-ylbenzene
CID 115402053
[3-bromo-4-(3-chloroprop-2-enoxy)phenyl]methanamine
CID 76985667
(1S)-1-[5-bromo-2-(3-chloroprop-2-enoxy)phenyl]ethanamine
CID 78937109
2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine
CID 60905064
(1R)-1-[4-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
CID 102946834
[6-(3-chloroprop-2-enoxy)-1,3-benzodioxol-5-yl]methanamine
CID 76912838
2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
CID 60905172
(5-bromo-2-decoxyphenyl)methanamine
CID 63499328
[5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine
CID 65318162
[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
CID 60878120

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine?
The IUPAC name of [5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine (CID 60878117) is [5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine?
The canonical SMILES for [5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine is NCc1cc(Br)ccc1OC/C=C/Cl.
What is the InChIKey of [5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine?
The InChIKey is NUCKHUJUNLSCNO-DAFODLJHSA-N. The full InChI is InChI=1S/C10H11BrClNO/c11-9-2-3-10(8(6-9)7-13)14-5-1-4-12/h1-4,6H,5,7,13H2/b4-1+.
What are the key properties of [5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine?
[5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine has a molecular weight of 276.56 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine is sourced from PubChem (CID 60878117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).